3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol

C17H16F3N3O2 — CID 122574423

IUPAC3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol
SMILESNc1nn(CCCO)c2cc(-c3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)25-15-5-2-1-4-12(15)11-6-7-13-14(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
InChIKeyFHVSRSDIPCEMEI-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol

3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol (PubChem CID 122574423) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol
PubChem CID122574423
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol
SMILESNc1nn(CCCO)c2cc(-c3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)25-15-5-2-1-4-12(15)11-6-7-13-14(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22)
InChIKeyFHVSRSDIPCEMEI-UHFFFAOYSA-N
XLogP3.57
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-methyl-N-(2-methyl-2-phenylpropyl)indazol-3-amine
CID 16050947
US10173985, Example 12
CID 122574347
US10173985, Example 8
CID 122574394
US10173985, Example 24
CID 122574401
US10173985, Example 58
CID 122574404
US10173985, Example 40
CID 122574415
US10173985, Example 42
CID 122574480
US10173985, Example 22
CID 122574532
1-Isopropyl-4-methoxy-n-(2-methyl-2-phenylpropyl)-1h-indazol-3-amine
CID 16050949
US10173985, Example 57
CID 122574365
US10173985, Example 26
CID 122574379
US10173985, Example 3
CID 122574413

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol (CID 122574423) is 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol is Nc1nn(CCCO)c2cc(-c3ccccc3OC(F)(F)F)ccc12.
What is the InChIKey of 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol?
The InChIKey is FHVSRSDIPCEMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)25-15-5-2-1-4-12(15)11-6-7-13-14(10-11)23(8-3-9-24)22-16(13)21/h1-2,4-7,10,24H,3,8-9H2,(H2,21,22).
What are the key properties of 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol?
3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol has a molecular weight of 351.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-6-[2-(trifluoromethoxy)phenyl]indazol-1-yl]propan-1-ol is sourced from PubChem (CID 122574423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).